AMBER Archive (2006)

Subject: Re: AMBER: How to specify user defined force fields or its parameters in amber??

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Tue Nov 28 2006 - 06:11:51 CST

yes, it is possible and quite common to modify parameters.
I suggest that you work through some of the Amber tutorials
that show how to do this. Check the Amber page or Ross Walker's
page:
http://www.rosswalker.co.uk/tutorials/amber_workshop/

then you can ask questions about things that are not covered in
any of the tutorials.

Gobind Singh Bisht wrote:

> Dear amber users,
> Is thr anyway you can specify a user
> defined force field in amber or atleast your own set of parameters?.
> One way could be change edit the source code itself or the parameter
> files. Even if u have to do that, U need to know the structure of the
> source code, which i dont. Can someone help me or guide me to some
> tutorial.
> thanx in advance
> --
> ----------------------------------------------------------------------------------------------------------------
>
> Gobind Singh Bisht
> Department Of Biotechnology
> IIT Kharagpur, Kharagpur-721302
> West Bengal, India
> Ph No: +919932604909
> Website: http://users.cjb.net/gobindbisht/
> ----------------------------------------------------------------------------------------------------------------

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